Building symmetric polynomials to fit a potential energy surface: application to an \({\mathrm A_2\mathrm B_2}\) molecule

DOI10.1007/s10910-013-0284-yzbMath1311.92198OpenAlexW2041232959MaRDI QIDQ2014789

Daniela V. Coelho, João Brandão

Publication date: 16 June 2014

Published in: Journal of Mathematical Chemistry (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1007/s10910-013-0284-y

zbMATH Keywords

invariant polynomial functionintegrity basispermutation symmetry groupsymmetric potential energy function

Mathematics Subject Classification ID

Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)

Related Items (1)

A fast algorithm for the construction of integrity bases associated to symmetry-adapted polynomial representations: application to tetrahedral XY\(_{\mathrm{4}}\) molecules

Cites Work

• Symmetry-adapted polynomial basis for global potential energy surfaces-applications to \(XY_{4}\) molecules
• Error-Correcting Codes and Invariant Theory: New Applications of a Nineteenth-Century Technique

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